#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2emy s SER 2 N 0.00 5.73 -0.39 1.61 0.15 -1.26 -5.05 113.70 114.49 2emy s SER 2 Ca 0.00 -1.88 -0.11 0.00 0.70 0.00 0.00 55.95 54.65 2emy s SER 2 Cb 0.00 -2.02 0.04 0.00 -1.71 0.00 0.00 66.02 62.33 2emy s SER 2 CO 0.00 -0.69 0.23 -0.44 1.20 0.00 0.00 173.24 173.54 2emy s SER 3 N 2.69 5.78 0.00 5.45 0.01 -1.26 -4.76 113.70 121.61 2emy s SER 3 Ca 0.05 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.24 2emy s SER 3 Cb -0.26 -2.04 0.00 0.00 0.21 0.00 0.00 66.02 63.93 2emy s SER 3 CO -0.00 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 173.83 2emy n GLY 4 N 5.01 0.16 2.80 3.44 0.00 -1.26 -5.09 105.19 110.26 2emy n GLY 4 Ca -0.12 -0.10 -0.52 0.00 0.00 0.00 0.00 46.02 45.29 2emy n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2emy n SER 5 N -1.58 0.72 -4.79 1.61 2.88 -1.26 -4.86 113.62 106.34 2emy n SER 5 Ca 0.00 0.67 -0.31 0.00 -1.33 0.00 0.00 58.87 57.90 2emy n SER 5 Cb 0.00 -0.74 0.06 0.00 -0.75 0.00 0.00 64.21 62.78 2emy n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2emy s SER 6 N 4.36 5.08 -0.22 -3.46 0.15 -1.26 -5.02 113.70 113.33 2emy s SER 6 Ca 0.97 1.76 -0.12 0.00 0.70 0.00 0.00 55.95 59.26 2emy s SER 6 Cb -1.25 -2.52 -0.05 0.00 -1.71 0.00 0.00 66.02 60.50 2emy s SER 6 CO 0.58 -1.64 0.22 -0.83 1.20 0.00 0.00 173.24 172.77 2emy s GLY 7 N -3.37 2.03 0.08 9.45 0.00 -1.26 -4.97 107.32 109.28 2emy s GLY 7 Ca 0.61 -0.75 -0.06 0.00 0.00 0.00 0.00 44.72 44.52 2emy s GLY 7 CO 0.51 0.47 1.15 -0.91 0.00 0.00 0.00 173.10 174.33 2emy h THR 8 N 4.96 1.46 0.00 0.90 1.35 -2.04 -3.50 112.91 116.04 2emy h THR 8 Ca -0.38 -2.93 0.00 0.00 -0.55 0.00 0.00 66.41 62.55 2emy h THR 8 Cb 1.17 2.88 0.00 0.00 -1.73 0.00 0.00 68.15 70.46 2emy h THR 8 CO 0.69 0.86 0.00 0.61 -0.25 0.00 0.00 175.52 177.43 2emy n GLY 9 N 1.46 0.74 3.39 5.82 0.00 -1.26 -5.02 105.19 110.32 2emy n GLY 9 Ca -0.09 -2.05 -0.39 0.00 0.00 0.00 0.00 46.02 43.49 2emy n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2emy s GLU 10 N -1.02 3.06 -0.56 1.61 0.41 -1.26 -5.03 118.70 115.91 2emy s GLU 10 Ca 0.00 -0.90 0.04 0.00 -0.41 0.00 0.00 54.97 53.70 2emy s GLU 10 Cb 0.00 -3.60 0.16 0.00 -1.78 0.00 0.00 34.13 28.91 2emy s GLU 10 CO 0.00 -0.55 0.38 0.54 -0.49 0.00 0.00 175.26 175.14 2emy s ASN 11 N 1.56 3.79 0.00 -0.19 2.20 -1.26 -4.78 114.94 116.26 2emy s ASN 11 Ca 0.03 -3.32 0.15 0.00 -0.94 0.00 0.00 52.86 48.78 2emy s ASN 11 Cb -0.18 -1.25 0.76 0.00 -2.00 0.00 0.00 41.25 38.58 2emy s ASN 11 CO 0.06 -0.16 1.40 -0.81 -2.94 0.00 0.00 177.10 174.65 2emy n PRO 12 N 2.64 0.24 -3.87 3.55 -0.04 -1.26 -4.34 135.00 131.92 2emy n PRO 12 Ca 0.18 0.13 -0.30 0.00 -0.04 0.00 0.00 63.50 63.47 2emy n PRO 12 Cb 0.37 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.18 2emy n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2emy s TYR 13 N -2.51 2.50 -0.04 0.54 2.02 -1.22 -5.05 117.35 113.58 2emy s TYR 13 Ca 0.15 -2.13 0.07 0.00 -0.37 0.00 0.00 57.07 54.79 2emy s TYR 13 Cb 0.10 -2.07 -0.02 0.00 -0.40 0.00 0.00 41.96 39.58 2emy s TYR 13 CO 0.22 -0.87 -0.25 -1.21 -1.57 0.00 0.00 175.55 171.86 2emy s GLU 14 N 1.35 2.28 -0.00 -0.62 2.02 -1.26 0.46 118.70 122.92 2emy s GLU 14 Ca 0.07 -0.91 -0.30 0.00 0.02 0.00 0.00 54.97 53.84 2emy s GLU 14 Cb -0.18 -2.08 -0.07 0.00 0.10 0.00 0.00 34.13 31.91 2emy s GLU 14 CO -0.15 0.48 1.64 0.00 0.02 0.00 0.00 175.26 177.25 2emy n HIS 16 N 6.48 0.50 -0.01 0.00 1.44 -1.26 -2.05 115.22 120.32 2emy n HIS 16 Ca 0.16 -0.37 -0.02 0.00 -2.01 0.00 0.00 57.72 55.48 2emy n HIS 16 Cb 0.42 -0.26 -0.01 0.00 0.12 0.00 0.00 29.99 30.26 2emy n HIS 16 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2emy n GLU 17 N 0.14 0.05 -0.07 -1.40 1.02 -1.26 -4.92 120.64 114.20 2emy n GLU 17 Ca 0.08 0.02 -0.11 0.00 -0.02 0.00 0.00 57.16 57.13 2emy n GLU 17 Cb 0.55 -0.59 -0.06 0.00 -0.02 0.00 0.00 31.44 31.33 2emy n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2emy n GLY 19 N 2.64 1.85 3.82 0.00 0.00 -0.87 -5.06 105.19 107.57 2emy n GLY 19 Ca -0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 2emy n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2emy s LYS 20 N 0.00 1.11 0.01 1.61 2.20 -1.25 -4.74 119.74 118.68 2emy s LYS 20 Ca 0.00 0.13 0.01 0.00 -0.36 0.00 0.00 55.97 55.75 2emy s LYS 20 Cb 0.00 -1.85 -0.01 0.00 -1.51 0.00 0.00 37.83 34.46 2emy s LYS 20 CO 0.00 -2.18 -0.04 0.00 -0.36 0.00 0.00 175.35 172.76 2emy s ALA 21 N -3.41 0.32 0.05 3.13 0.00 -1.26 -0.85 121.76 119.74 2emy s ALA 21 Ca 0.65 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.32 2emy s ALA 21 Cb -0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 2emy s ALA 21 CO 0.52 0.03 -0.05 -0.06 0.00 0.00 0.00 175.76 176.20 2emy s PHE 22 N -0.45 0.60 -0.05 0.00 0.40 0.17 -4.98 117.98 113.68 2emy s PHE 22 Ca -0.02 -0.74 -0.26 0.00 -0.60 0.00 0.00 56.93 55.31 2emy s PHE 22 Cb -0.04 -0.38 -0.20 0.00 0.51 0.00 0.00 43.02 42.91 2emy s PHE 22 CO -0.00 -0.19 1.12 0.77 0.70 0.00 0.00 175.22 177.62 2emy h SER 23 N 3.84 -0.04 -1.65 1.36 0.02 -1.86 -3.25 113.55 111.97 2emy h SER 23 Ca -0.34 -0.54 -0.48 0.00 -0.84 0.00 0.00 61.79 59.58 2emy h SER 23 Cb 1.18 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 2emy h SER 23 CO 0.53 0.54 -0.39 -0.13 -1.14 0.00 0.00 176.83 176.24 2emy s ARG 24 N -3.80 2.68 0.03 3.45 0.52 -1.26 -4.67 118.95 115.90 2emy s ARG 24 Ca -0.16 -1.37 -0.25 0.00 -0.52 0.00 0.00 55.73 53.43 2emy s ARG 24 Cb 0.01 -2.49 -0.18 0.00 0.52 0.00 0.00 34.95 32.81 2emy s ARG 24 CO 0.64 -0.08 1.44 -0.22 0.02 0.00 0.00 175.30 177.10 2emy h LYS 25 N 1.05 -0.13 -0.81 3.54 1.63 -1.96 -3.10 116.57 116.79 2emy h LYS 25 Ca -0.43 0.01 0.09 0.00 -0.85 0.00 0.00 60.65 59.47 2emy h LYS 25 Cb 1.26 0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 32.85 2emy h LYS 25 CO 0.56 0.14 0.47 0.10 -3.45 0.00 0.00 179.45 177.26 2emy h TYR 26 N -0.41 0.85 -0.78 1.91 -0.00 -1.99 -0.05 116.97 116.50 2emy h TYR 26 Ca -0.01 0.03 0.23 0.00 -0.00 0.00 0.00 58.73 58.97 2emy h TYR 26 Cb 0.34 -0.26 -0.03 0.00 -0.00 0.00 0.00 36.73 36.77 2emy h TYR 26 CO 0.01 0.37 0.66 1.96 -0.00 0.00 0.00 178.16 181.16 2emy h GLN 27 N 0.80 0.00 0.02 0.10 4.20 -1.95 -0.85 115.11 117.43 2emy h GLN 27 Ca 0.38 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.92 2emy h GLN 27 Cb 0.31 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 2emy h GLN 27 CO -0.23 0.00 -0.91 1.25 -0.67 0.00 0.00 178.83 178.27 2emy h LEU 28 N 0.00 0.07 -0.54 1.46 5.85 -1.04 -3.35 115.31 117.76 2emy h LEU 28 Ca 0.37 -0.72 0.11 0.00 0.84 0.00 0.00 57.88 58.48 2emy h LEU 28 Cb 1.69 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 42.60 2emy h LEU 28 CO -0.00 1.37 -0.16 0.40 -0.34 0.00 0.00 178.44 179.71 2emy h ILE 29 N -0.87 0.42 -0.97 4.05 5.03 -0.69 0.19 117.51 124.67 2emy h ILE 29 Ca -0.24 0.00 0.21 0.00 -0.12 0.00 0.00 64.86 64.72 2emy h ILE 29 Cb 1.30 0.42 -0.08 0.00 -3.03 0.00 0.00 36.82 35.43 2emy h ILE 29 CO -0.10 0.00 0.62 -1.28 -0.68 0.00 0.00 178.15 176.71 2emy h SER 30 N -0.02 0.53 -0.01 1.72 0.87 -1.46 -1.21 113.55 113.97 2emy h SER 30 Ca 0.26 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.88 2emy h SER 30 Cb 0.42 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2emy h SER 30 CO -0.57 0.18 -0.02 -0.74 -0.53 0.00 0.00 176.83 175.15 2emy h HIS 31 N 0.51 0.04 -1.12 2.24 -0.00 -0.80 -3.10 115.15 112.93 2emy h HIS 31 Ca 0.53 -0.01 0.32 0.00 -0.00 0.00 0.00 60.37 61.21 2emy h HIS 31 Cb 1.17 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.41 28.53 2emy h HIS 31 CO -0.00 0.58 0.86 1.96 -0.00 0.00 0.00 177.93 181.33 2emy h GLN 32 N -0.51 0.00 -0.95 5.26 4.20 -0.08 0.27 115.11 123.30 2emy h GLN 32 Ca 0.00 0.00 0.20 0.00 0.06 0.00 0.00 58.65 58.91 2emy h GLN 32 Cb 0.58 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.28 2emy h GLN 32 CO 0.00 0.00 0.61 0.00 -0.67 0.00 0.00 178.83 178.78 2emy h ARG 33 N 0.00 0.51 -0.66 1.46 2.47 -1.38 0.17 114.38 116.94 2emy h ARG 33 Ca 0.53 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 59.21 2emy h ARG 33 Cb 2.25 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 30.43 2emy h ARG 33 CO -0.01 0.34 0.36 1.79 0.56 0.00 0.00 179.97 183.01 2emy h THR 34 N 0.52 1.20 -0.19 2.04 1.35 -0.64 -2.56 112.91 114.63 2emy h THR 34 Ca 0.51 -0.50 -0.20 0.00 -0.55 0.00 0.00 66.41 65.67 2emy h THR 34 Cb 1.11 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 2emy h THR 34 CO -0.24 0.22 -0.67 0.45 -0.25 0.00 0.00 175.52 175.02 2emy h HIS 35 N 0.92 0.98 -0.61 4.73 3.86 -0.83 -3.42 115.15 120.79 2emy h HIS 35 Ca 0.23 -0.40 -0.33 0.00 -1.16 0.00 0.00 60.37 58.72 2emy h HIS 35 Cb 0.03 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 28.29 2emy h HIS 35 CO 0.01 1.21 1.31 0.00 0.86 0.00 0.00 177.93 181.32 2emy n ALA 36 N -2.57 0.62 -1.00 2.45 0.00 -0.78 -4.24 120.51 114.98 2emy n ALA 36 Ca -0.06 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.50 2emy n ALA 36 Cb 0.69 -2.87 0.00 0.00 0.00 0.00 0.00 19.45 17.27 2emy n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2emy n GLY 37 N 6.24 -1.49 3.21 0.00 0.00 -1.26 -5.01 105.19 106.88 2emy n GLY 37 Ca 0.52 0.53 -0.34 0.00 0.00 0.00 0.00 46.02 46.72 2emy n GLY 37 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2emy s GLU 38 N 0.00 2.97 -0.15 1.61 -1.05 -1.26 -5.11 118.70 115.72 2emy s GLU 38 Ca 0.00 -0.88 -0.08 0.00 -0.15 0.00 0.00 54.97 53.86 2emy s GLU 38 Cb 0.00 -2.91 -0.04 0.00 -0.44 0.00 0.00 34.13 30.74 2emy s GLU 38 CO 0.00 -0.32 0.14 0.21 0.95 0.00 0.00 175.26 176.23 2emy s LYS 39 N 1.35 3.74 0.12 -4.83 2.20 -1.26 -5.01 119.74 116.05 2emy s LYS 39 Ca 0.02 -0.17 -0.13 0.00 -0.36 0.00 0.00 55.97 55.34 2emy s LYS 39 Cb -0.15 -3.28 -0.06 0.00 -1.51 0.00 0.00 37.83 32.83 2emy s LYS 39 CO -0.06 0.59 1.45 -1.00 -0.36 0.00 0.00 175.35 175.97 2emy h PRO 40 N 5.66 0.84 -7.38 4.03 0.13 -2.03 -3.45 132.00 129.80 2emy h PRO 40 Ca -0.49 -0.44 -0.50 0.00 -0.87 0.00 0.00 66.00 63.69 2emy h PRO 40 Cb 1.20 0.01 0.10 0.00 0.13 0.00 0.00 31.00 32.44 2emy h PRO 40 CO 0.65 1.08 0.37 -1.54 -0.23 0.00 0.00 178.00 178.33 2emy s SER 41 N -6.71 5.11 -0.62 1.44 1.04 -1.26 -5.03 113.70 107.68 2emy s SER 41 Ca -0.12 1.43 -0.04 0.00 0.48 0.00 0.00 55.95 57.71 2emy s SER 41 Cb 0.10 -2.26 0.16 0.00 0.10 0.00 0.00 66.02 64.12 2emy s SER 41 CO 0.86 -1.59 0.44 -0.83 0.98 0.00 0.00 173.24 173.09 2emy s GLY 42 N -3.92 2.47 1.16 7.32 0.00 -1.26 -5.09 107.32 108.00 2emy s GLY 42 Ca 0.59 -3.20 -0.18 0.00 0.00 0.00 0.00 44.72 41.93 2emy s GLY 42 CO 0.54 1.10 1.11 2.56 0.00 0.00 0.00 173.10 178.41 2emy s PRO 43 N 0.06 -0.90 -0.06 2.90 0.04 -1.26 -5.03 135.00 130.76 2emy s PRO 43 Ca 0.16 0.05 -0.02 0.00 0.04 0.00 0.00 61.00 61.23 2emy s PRO 43 Cb -0.20 -1.62 -0.01 0.00 0.04 0.00 0.00 34.50 32.71 2emy s PRO 43 CO -0.04 -3.52 0.11 0.77 0.04 0.00 0.00 177.00 174.36 2emy h SER 44 N -2.45 -0.06 -3.09 6.66 0.02 -2.08 -3.44 113.55 109.12 2emy h SER 44 Ca -0.47 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 59.90 2emy h SER 44 Cb 1.30 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.80 2emy h SER 44 CO 0.39 0.27 0.79 -0.44 -1.14 0.00 0.00 176.83 176.70 2emy s SER 45 N -4.64 7.11 0.00 3.07 0.01 -1.26 -5.35 113.70 112.65 2emy s SER 45 Ca -0.01 1.39 0.13 0.00 1.31 0.00 0.00 55.95 58.77 2emy s SER 45 Cb 0.00 -2.54 0.10 0.00 0.21 0.00 0.00 66.02 63.79 2emy s SER 45 CO 0.03 -0.66 0.90 0.61 0.41 0.00 0.00 173.24 174.53